Vitas-M small molecule compound
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanone
Catalog ID
STK691570
SMILES COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)c1nsc2c1cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-26-16-12-14(13-17(27-2)19(16)28-3)21(25)24-10-8-23(9-11-24)20-15-6-4-5-7-18(15)29-22-20/h4-7,12-13H,8-11H2,1-3H3InChIKey
KVYDRHVCRZJMDK-UHFFFAOYSA-NSynonyms
(4(12benzothiazol3yl)piperazin1yl)(345trimethoxyphenyl)methanone
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43
InChI=1SC21H23N3O4Sc126161214(1317(272)19(16)283)21(25)2410823(91124)2015645718(15)292220h471213H811H213H3
MFCD09064574
ZINC000012418516
ZINC12418516
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